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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13BrClFN4O3
Molecular Weight 443.6549
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL SELUMETINIB

SMILES

c1cc(c(cc1Br)Cl)Nc2c(cc3c(c2F)[nH]cn3)C(=NOCCO)O

InChI

InChIKey=UBEOBEUUUKHITB-UHFFFAOYSA-N
InChI=1S/C16H13BrClFN4O3/c17-8-1-2-11(10(18)5-8)22-14-9(16(25)23-26-4-3-24)6-12-15(13(14)19)21-7-20-12/h1-2,5-7,22,24H,3-4H2,(H,20,21)(H,23,25)

HIDE SMILES / InChI

Molecular Formula C16H13BrClFN4O3
Molecular Weight 443.6549
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:40:21 UTC 2021
Edited
by admin
on Sat Jun 26 02:40:21 UTC 2021
Record UNII
9DUG71QQM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL SELUMETINIB
Common Name English
6-((4-BROMO-2-CHLOROPHENYL)AMINO)-7-FLUORO-N-(2-HYDROXYETHOXY)-1H-BENZIMIDAZOLE-5-CARBOXAMIDE
Systematic Name English
AZ12442942
Common Name English
1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 6-((4-BROMO-2-CHLOROPHENYL)AMINO)-7-FLUORO-N-(2-HYDROXYETHOXY)-
Systematic Name English
SELUMETINIB METABOLITE M8
Common Name English
Code System Code Type Description
CAS
606143-88-8
Created by admin on Sat Jun 26 02:40:21 UTC 2021 , Edited by admin on Sat Jun 26 02:40:21 UTC 2021
PRIMARY
PUBCHEM
10238358
Created by admin on Sat Jun 26 02:40:21 UTC 2021 , Edited by admin on Sat Jun 26 02:40:21 UTC 2021
PRIMARY
FDA UNII
9DUG71QQM6
Created by admin on Sat Jun 26 02:40:21 UTC 2021 , Edited by admin on Sat Jun 26 02:40:21 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
N-desmethyl selumetinib represents less than 10% of selumetinib levels in human plasma, but is approximately 3 to 5 times more potent than the parent compound, contributing to about 21% to 35% of the overall pharmacologic activity.
PLASMA
PARENT -> METABOLITE ACTIVE
FECAL
PARENT -> METABOLITE ACTIVE
URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC Healthy AdultMale Subjects

Biological Half-life PHARMACOKINETIC